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BDBM50070810 CHEMBL3409250

SMILES: NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(Cc3ccccc3F)ccc12

InChI Key: InChIKey=UPCMRVZQJLKQQG-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50070810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50070810
PNG
(CHEMBL3409250)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(Cc3ccccc3F)ccc12
Show InChI InChI=1S/C29H31FN4O2/c30-25-9-3-1-7-22(25)21-34-15-13-23-26(10-5-11-27(23)34)33-18-16-32(17-19-33)14-6-20-36-28-12-4-2-8-24(28)29(31)35/h1-5,7-13,15H,6,14,16-21H2,(H2,31,35)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation cou...


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50070810
PNG
(CHEMBL3409250)
Show SMILES NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(Cc3ccccc3F)ccc12
Show InChI InChI=1S/C29H31FN4O2/c30-25-9-3-1-7-22(25)21-34-15-13-23-26(10-5-11-27(23)34)33-18-16-32(17-19-33)14-6-20-36-28-12-4-2-8-24(28)29(31)35/h1-5,7-13,15H,6,14,16-21H2,(H2,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method


Eur J Med Chem 92: 221-35 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.045
BindingDB Entry DOI: 10.7270/Q2Q241XV
More data for this
Ligand-Target Pair